SCHEMBL9696463

SCHEMBL9696463

CNC=O.ONCC1COc2ccc(Oc3ccc(F)cc3)cc2O1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.57
MTNR1A P48039 1/20 0.45
FFAR1 O14842 4/20 0.41
AIMP2 Q13155 1/20 0.41
ALOX12 P18054 1/20 0.41
CA2 P00918 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Formamide SCHEMBL9695887 0.92 ALOX5 (0.61) ALOX5MTNR1AFFAR1AIMP2CA2
Formamide SCHEMBL9618563 0.82 ALOX5 (0.61) ALOX5MTNR1AADRB2ADRB1ADRB3
SCHEMBL9696268 0.81 ALOX5 (0.62) ALOX5MTNR1AADRB2ADRB1ADRB3
Formamide SCHEMBL9695948 0.79 MTNR1A (0.60) ALOX5MTNR1AFFAR1CA2ADRB2
Formamide SCHEMBL9694812 0.78 ALOX5 (0.61) ALOX5ADRB2ADRB1ADRB3KDM4E
SCHEMBL9696408 0.76 ALOX5 (0.62) ALOX5MTNR1AADRB2ADRB1ADRB3
SCHEMBL9696255 0.73 ALOX5 (0.58) ALOX5ALOX12ADRB2ADRB1ADRB3
SCHEMBL9695886 0.72 ALOX5 (1.00) ALOX5FFAR1ALOX12
SCHEMBL13696683 0.72 ALOX5 (1.00) ALOX5FFAR1ALOX12
SCHEMBL9696458 0.71 ALOX5 (0.49) ALOX5MTNR1AFFAR1ALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498770-A1 Certain benzodioxole, benzodioxane and benzodioxepin derivatives CIBA-GEIGY AG (CH) 1992-08-12 EP disclosed
US-5120758-A Treating allergic, inflammatory, cardiovascular, pulmonary, arthritic, cutaneous disorders CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed